Au2P2S8Tl4
Au2P2S8Tl4 is a thermodynamically stable, semiconducting quaternary compound containing gold, phosphorus, sulfur, and thallium.
About Au2P2S8Tl4
Au2P2S8Tl4 is a complex quaternary compound composed of gold, phosphorus, sulfur, and thallium. As a thermodynamically stable phase residing on the convex hull, it represents a robust arrangement of these elements within its crystalline lattice.
This material exhibits semiconducting electronic character, making it an intriguing candidate for investigation in specialized electronic or optoelectronic applications. Its existence across multiple structural databases underscores its significance as a well-defined inorganic crystalline phase.
Key Properties
Cross-validated computational properties for Au2P2S8Tl4, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Au2P2S8Tl4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 1.30 | 0.0000 | -4.352 | 5.87 |
| — | — | — | — | — | 6.01 |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where Au2P2S8Tl4 is used.
Frequently Asked Questions
Common questions about Au2P2S8Tl4, answered from cross-validated data.
What is Au2P2S8Tl4?
Au2P2S8Tl4 is a thermodynamically stable, semiconducting quaternary compound containing gold, phosphorus, sulfur, and thallium.
What is Au2P2S8Tl4 used for?
What is the band gap of Au2P2S8Tl4?
Is Au2P2S8Tl4 a metal, semiconductor, or insulator?
Is Au2P2S8Tl4 thermodynamically stable?
What is the crystal structure of Au2P2S8Tl4?
What is the density of Au2P2S8Tl4?
How many polymorphs of Au2P2S8Tl4 are known?
What elements does Au2P2S8Tl4 contain?
Where does the data for Au2P2S8Tl4 come from?
How It Compares
As a distinct quaternary inorganic compound, Au2P2S8Tl4 occupies a unique niche in solid-state chemistry. While it shares elemental constituents common to various chalcogenide and pnictide families, its specific stoichiometry and stable configuration distinguish it as a singular subject for structural and electronic characterization.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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